Compile Data Set for Download or QSAR

Found 101 hits of ec50 data for polymerid = 1385,1386,1387,1388,1389,1390,1391,1392,1393,195,5221   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM6568 (6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...) Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)| Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	28	n/a	<3	n/a	n/a	n/a	n/a
GPC Biotech Incorporated					Assay Description CAII assays were performed at CEREP (paris). All other kinase assays were performed at Upstate (Dundee, UK).				Chem Biol 13: 711-22 (2006) Article DOI: 10.1016/j.chembiol.2006.05.008 BindingDB Entry DOI: 10.7270/Q2WM1BT5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50565746 (CHEMBL4793906) Show SMILES Nc1n[nH]c2cccc(C#Cc3cccc(NC(=O)c4ccc(N5CCOCC5)c(c4)C(F)(F)F)c3)c12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of NanoLuc-fused ABL1 (unknown origin) expressed in human HEK293 cells incubated for 2 to 3 mins by NanoBRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112710 BindingDB Entry DOI: 10.7270/Q2W38122
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM13530 (4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	372	n/a	70	n/a	n/a	n/a	n/a
GPC Biotech Incorporated					Assay Description CAII assays were performed at CEREP (paris). All other kinase assays were performed at Upstate (Dundee, UK).				Chem Biol 13: 711-22 (2006) Article DOI: 10.1016/j.chembiol.2006.05.008 BindingDB Entry DOI: 10.7270/Q2WM1BT5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530304 (CHEMBL4445989) Show SMILES C[C@H]1CN(N=C1NC(=O)c1cncnc1)c1ccc(Cl)c(Cl)c1 |r,c:4| Show InChI InChI=1S/C15H13Cl2N5O/c1-9-7-22(11-2-3-12(16)13(17)4-11)21-14(9)20-15(23)10-5-18-8-19-6-10/h2-6,8-9H,7H2,1H3,(H,20,21,23)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530304 (CHEMBL4445989) Show SMILES C[C@H]1CN(N=C1NC(=O)c1cncnc1)c1ccc(Cl)c(Cl)c1 |r,c:4| Show InChI InChI=1S/C15H13Cl2N5O/c1-9-7-22(11-2-3-12(16)13(17)4-11)21-14(9)20-15(23)10-5-18-8-19-6-10/h2-6,8-9H,7H2,1H3,(H,20,21,23)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530292 (CHEMBL4444514) Show SMILES Cc1ncncc1C(=O)NC1=NN(CC1)c1ccc(Cl)c(Cl)c1 |t:11| Show InChI InChI=1S/C15H13Cl2N5O/c1-9-11(7-18-8-19-9)15(23)20-14-4-5-22(21-14)10-2-3-12(16)13(17)6-10/h2-3,6-8H,4-5H2,1H3,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	316	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530292 (CHEMBL4444514) Show SMILES Cc1ncncc1C(=O)NC1=NN(CC1)c1ccc(Cl)c(Cl)c1 |t:11| Show InChI InChI=1S/C15H13Cl2N5O/c1-9-11(7-18-8-19-9)15(23)20-14-4-5-22(21-14)10-2-3-12(16)13(17)6-10/h2-3,6-8H,4-5H2,1H3,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	316	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530303 (CHEMBL4441687) Show SMILES CC1CN(N=C1NC(C)=O)c1ccc(Cl)c(Cl)c1 |c:4| Show InChI InChI=1S/C12H13Cl2N3O/c1-7-6-17(16-12(7)15-8(2)18)9-3-4-10(13)11(14)5-9/h3-5,7H,6H2,1-2H3,(H,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	501	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530302 (CHEMBL4586018) Show SMILES Clc1ccc(cc1Cl)N1CCC(NC(=O)c2ccnnc2)=N1 |c:22| Show InChI InChI=1S/C14H11Cl2N5O/c15-11-2-1-10(7-12(11)16)21-6-4-13(20-21)19-14(22)9-3-5-17-18-8-9/h1-3,5,7-8H,4,6H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	501	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530303 (CHEMBL4441687) Show SMILES CC1CN(N=C1NC(C)=O)c1ccc(Cl)c(Cl)c1 |c:4| Show InChI InChI=1S/C12H13Cl2N3O/c1-7-6-17(16-12(7)15-8(2)18)9-3-4-10(13)11(14)5-9/h3-5,7H,6H2,1-2H3,(H,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	501	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530302 (CHEMBL4586018) Show SMILES Clc1ccc(cc1Cl)N1CCC(NC(=O)c2ccnnc2)=N1 |c:22| Show InChI InChI=1S/C14H11Cl2N5O/c15-11-2-1-10(7-12(11)16)21-6-4-13(20-21)19-14(22)9-3-5-17-18-8-9/h1-3,5,7-8H,4,6H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	501	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530269 (CHEMBL4538256) Show SMILES Clc1ccc(cc1Cl)N1CCC(NC(=O)c2cccnc2)=N1 |c:22| Show InChI InChI=1S/C15H12Cl2N4O/c16-12-4-3-11(8-13(12)17)21-7-5-14(20-21)19-15(22)10-2-1-6-18-9-10/h1-4,6,8-9H,5,7H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	631	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530273 (CHEMBL4568519) Show SMILES Clc1ccc(cc1Cl)N1CCC(NC(=O)c2cncnc2)=N1 |c:22| Show InChI InChI=1S/C14H11Cl2N5O/c15-11-2-1-10(5-12(11)16)21-4-3-13(20-21)19-14(22)9-6-17-8-18-7-9/h1-2,5-8H,3-4H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	631	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530310 (CHEMBL4545184) Show SMILES C[C@H]1CN(N=C1NC(C)=O)c1ccc(Cl)c(Cl)c1 |r,c:4| Show InChI InChI=1S/C12H13Cl2N3O/c1-7-6-17(16-12(7)15-8(2)18)9-3-4-10(13)11(14)5-9/h3-5,7H,6H2,1-2H3,(H,15,16,18)/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	631	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530310 (CHEMBL4545184) Show SMILES C[C@H]1CN(N=C1NC(C)=O)c1ccc(Cl)c(Cl)c1 |r,c:4| Show InChI InChI=1S/C12H13Cl2N3O/c1-7-6-17(16-12(7)15-8(2)18)9-3-4-10(13)11(14)5-9/h3-5,7H,6H2,1-2H3,(H,15,16,18)/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	631	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530273 (CHEMBL4568519) Show SMILES Clc1ccc(cc1Cl)N1CCC(NC(=O)c2cncnc2)=N1 |c:22| Show InChI InChI=1S/C14H11Cl2N5O/c15-11-2-1-10(5-12(11)16)21-4-3-13(20-21)19-14(22)9-6-17-8-18-7-9/h1-2,5-8H,3-4H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	631	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530269 (CHEMBL4538256) Show SMILES Clc1ccc(cc1Cl)N1CCC(NC(=O)c2cccnc2)=N1 |c:22| Show InChI InChI=1S/C15H12Cl2N4O/c16-12-4-3-11(8-13(12)17)21-7-5-14(20-21)19-15(22)10-2-1-6-18-9-10/h1-4,6,8-9H,5,7H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	631	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530307 (CHEMBL4471351) Show SMILES CC(=O)NC1=NN(CC1)c1ccc(Cl)c(Cl)c1 |t:4| Show InChI InChI=1S/C11H11Cl2N3O/c1-7(17)14-11-4-5-16(15-11)8-2-3-9(12)10(13)6-8/h2-3,6H,4-5H2,1H3,(H,14,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	794	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM66241 (5-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]imidazo...) Show SMILES Fc1ccc(cc1)-c1nn(cc1C1NC(=O)NC1=O)-c1ccccc1 Show InChI InChI=1S/C18H13FN4O2/c19-12-8-6-11(7-9-12)15-14(16-17(24)21-18(25)20-16)10-23(22-15)13-4-2-1-3-5-13/h1-10,16H,(H2,20,21,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	794	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530312 (CHEMBL4436403) Show SMILES Clc1ccc(cc1Cl)N1CCC(NC(=O)CCC#N)=N1 |c:19| Show InChI InChI=1S/C13H12Cl2N4O/c14-10-4-3-9(8-11(10)15)19-7-5-12(18-19)17-13(20)2-1-6-16/h3-4,8H,1-2,5,7H2,(H,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	794	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530307 (CHEMBL4471351) Show SMILES CC(=O)NC1=NN(CC1)c1ccc(Cl)c(Cl)c1 |t:4| Show InChI InChI=1S/C11H11Cl2N3O/c1-7(17)14-11-4-5-16(15-11)8-2-3-9(12)10(13)6-8/h2-3,6H,4-5H2,1H3,(H,14,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	794	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM66241 (5-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]imidazo...) Show SMILES Fc1ccc(cc1)-c1nn(cc1C1NC(=O)NC1=O)-c1ccccc1 Show InChI InChI=1S/C18H13FN4O2/c19-12-8-6-11(7-9-12)15-14(16-17(24)21-18(25)20-16)10-23(22-15)13-4-2-1-3-5-13/h1-10,16H,(H2,20,21,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	794	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530312 (CHEMBL4436403) Show SMILES Clc1ccc(cc1Cl)N1CCC(NC(=O)CCC#N)=N1 |c:19| Show InChI InChI=1S/C13H12Cl2N4O/c14-10-4-3-9(8-11(10)15)19-7-5-12(18-19)17-13(20)2-1-6-16/h3-4,8H,1-2,5,7H2,(H,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	794	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530287 (CHEMBL4444358) Show SMILES Clc1ccc(cc1Cl)N1CCC(NC(=O)CC#N)=N1 |c:18| Show InChI InChI=1S/C12H10Cl2N4O/c13-9-2-1-8(7-10(9)14)18-6-4-11(17-18)16-12(19)3-5-15/h1-2,7H,3-4,6H2,(H,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530287 (CHEMBL4444358) Show SMILES Clc1ccc(cc1Cl)N1CCC(NC(=O)CC#N)=N1 |c:18| Show InChI InChI=1S/C12H10Cl2N4O/c13-9-2-1-8(7-10(9)14)18-6-4-11(17-18)16-12(19)3-5-15/h1-2,7H,3-4,6H2,(H,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530290 (CHEMBL4529307) Show SMILES Fc1ncccc1C(=O)NC1=NN(CC1)c1ccc(Cl)c(Cl)c1 |t:11| Show InChI InChI=1S/C15H11Cl2FN4O/c16-11-4-3-9(8-12(11)17)22-7-5-13(21-22)20-15(23)10-2-1-6-19-14(10)18/h1-4,6,8H,5,7H2,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530290 (CHEMBL4529307) Show SMILES Fc1ncccc1C(=O)NC1=NN(CC1)c1ccc(Cl)c(Cl)c1 |t:11| Show InChI InChI=1S/C15H11Cl2FN4O/c16-11-4-3-9(8-12(11)17)22-7-5-13(21-22)20-15(23)10-2-1-6-19-14(10)18/h1-4,6,8H,5,7H2,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530291 (CHEMBL4448349) Show SMILES Fc1cnccc1C(=O)NC1=NN(CC1)c1ccc(Cl)c(Cl)c1 |t:11| Show InChI InChI=1S/C15H11Cl2FN4O/c16-11-2-1-9(7-12(11)17)22-6-4-14(21-22)20-15(23)10-3-5-19-8-13(10)18/h1-3,5,7-8H,4,6H2,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530289 (CHEMBL4475966) Show SMILES Clc1ccc(cc1Cl)N1CCC(NC(=O)c2ccncc2)=N1 |c:22| Show InChI InChI=1S/C15H12Cl2N4O/c16-12-2-1-11(9-13(12)17)21-8-5-14(20-21)19-15(22)10-3-6-18-7-4-10/h1-4,6-7,9H,5,8H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530291 (CHEMBL4448349) Show SMILES Fc1cnccc1C(=O)NC1=NN(CC1)c1ccc(Cl)c(Cl)c1 |t:11| Show InChI InChI=1S/C15H11Cl2FN4O/c16-11-2-1-9(7-12(11)17)22-6-4-14(21-22)20-15(23)10-3-5-19-8-13(10)18/h1-3,5,7-8H,4,6H2,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530289 (CHEMBL4475966) Show SMILES Clc1ccc(cc1Cl)N1CCC(NC(=O)c2ccncc2)=N1 |c:22| Show InChI InChI=1S/C15H12Cl2N4O/c16-12-2-1-11(9-13(12)17)21-8-5-14(20-21)19-15(22)10-3-6-18-7-4-10/h1-4,6-7,9H,5,8H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530288 (CHEMBL4452082) Show SMILES Clc1ccc(cc1Cl)N1CCC(NC(=O)C2CCCC(=O)N2)=N1 |c:23| Show InChI InChI=1S/C15H16Cl2N4O2/c16-10-5-4-9(8-11(10)17)21-7-6-13(20-21)19-15(23)12-2-1-3-14(22)18-12/h4-5,8,12H,1-3,6-7H2,(H,18,22)(H,19,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530288 (CHEMBL4452082) Show SMILES Clc1ccc(cc1Cl)N1CCC(NC(=O)C2CCCC(=O)N2)=N1 |c:23| Show InChI InChI=1S/C15H16Cl2N4O2/c16-10-5-4-9(8-11(10)17)21-7-6-13(20-21)19-15(23)12-2-1-3-14(22)18-12/h4-5,8,12H,1-3,6-7H2,(H,18,22)(H,19,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530274 (CHEMBL4466716) Show SMILES Fc1cccc(F)c1C(=O)NC1=NN(CC1)c1ccc(Cl)c(Cl)c1 |t:12| Show InChI InChI=1S/C16H11Cl2F2N3O/c17-10-5-4-9(8-11(10)18)23-7-6-14(22-23)21-16(24)15-12(19)2-1-3-13(15)20/h1-5,8H,6-7H2,(H,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530272 (CHEMBL4537164) Show SMILES Clc1ccc(cc1Cl)-c1c[nH]c(NC(=O)CC#N)n1 Show InChI InChI=1S/C12H8Cl2N4O/c13-8-2-1-7(5-9(8)14)10-6-16-12(17-10)18-11(19)3-4-15/h1-2,5-6H,3H2,(H2,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530294 (CHEMBL4538292) Show SMILES OCCC1CN(N=C1NC(=O)c1ccncc1)c1ccc(Cl)c(Cl)c1 |c:6| Show InChI InChI=1S/C17H16Cl2N4O2/c18-14-2-1-13(9-15(14)19)23-10-12(5-8-24)16(22-23)21-17(25)11-3-6-20-7-4-11/h1-4,6-7,9,12,24H,5,8,10H2,(H,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530274 (CHEMBL4466716) Show SMILES Fc1cccc(F)c1C(=O)NC1=NN(CC1)c1ccc(Cl)c(Cl)c1 |t:12| Show InChI InChI=1S/C16H11Cl2F2N3O/c17-10-5-4-9(8-11(10)18)23-7-6-14(22-23)21-16(24)15-12(19)2-1-3-13(15)20/h1-5,8H,6-7H2,(H,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530272 (CHEMBL4537164) Show SMILES Clc1ccc(cc1Cl)-c1c[nH]c(NC(=O)CC#N)n1 Show InChI InChI=1S/C12H8Cl2N4O/c13-8-2-1-7(5-9(8)14)10-6-16-12(17-10)18-11(19)3-4-15/h1-2,5-6H,3H2,(H2,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530294 (CHEMBL4538292) Show SMILES OCCC1CN(N=C1NC(=O)c1ccncc1)c1ccc(Cl)c(Cl)c1 |c:6| Show InChI InChI=1S/C17H16Cl2N4O2/c18-14-2-1-13(9-15(14)19)23-10-12(5-8-24)16(22-23)21-17(25)11-3-6-20-7-4-11/h1-4,6-7,9,12,24H,5,8,10H2,(H,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530271 (CHEMBL4446830) Show SMILES Fc1cccc(F)c1C(=O)Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H8Cl2F2N2OS/c17-9-5-4-8(6-10(9)18)13-7-24-16(21-13)22-15(23)14-11(19)2-1-3-12(14)20/h1-7H,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530275 (CHEMBL4562851) Show SMILES Clc1ccc(cc1Cl)-c1csc(NC(=O)CC#N)n1 Show InChI InChI=1S/C12H7Cl2N3OS/c13-8-2-1-7(5-9(8)14)10-6-19-12(16-10)17-11(18)3-4-15/h1-2,5-6H,3H2,(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530275 (CHEMBL4562851) Show SMILES Clc1ccc(cc1Cl)-c1csc(NC(=O)CC#N)n1 Show InChI InChI=1S/C12H7Cl2N3OS/c13-8-2-1-7(5-9(8)14)10-6-19-12(16-10)17-11(18)3-4-15/h1-2,5-6H,3H2,(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530271 (CHEMBL4446830) Show SMILES Fc1cccc(F)c1C(=O)Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H8Cl2F2N2OS/c17-9-5-4-8(6-10(9)18)13-7-24-16(21-13)22-15(23)14-11(19)2-1-3-12(14)20/h1-7H,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530300 (CHEMBL4447662) Show SMILES C[C@H](NC(C)=O)C(=O)NC1=NN(CC1)c1ccc(Cl)c(Cl)c1 |r,t:9| Show InChI InChI=1S/C14H16Cl2N4O2/c1-8(17-9(2)21)14(22)18-13-5-6-20(19-13)10-3-4-11(15)12(16)7-10/h3-4,7-8H,5-6H2,1-2H3,(H,17,21)(H,18,19,22)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530284 (CHEMBL4590544) Show SMILES Clc1ccc(cc1Cl)-n1ccc(NC(=O)CC#N)n1 Show InChI InChI=1S/C12H8Cl2N4O/c13-9-2-1-8(7-10(9)14)18-6-4-11(17-18)16-12(19)3-5-15/h1-2,4,6-7H,3H2,(H,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530309 (CHEMBL4456576) Show SMILES OCCC1CN(N=C1NC(=O)c1cccnc1)c1ccc(Cl)c(Cl)c1 |c:6| Show InChI InChI=1S/C17H16Cl2N4O2/c18-14-4-3-13(8-15(14)19)23-10-12(5-7-24)16(22-23)21-17(25)11-2-1-6-20-9-11/h1-4,6,8-9,12,24H,5,7,10H2,(H,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530309 (CHEMBL4456576) Show SMILES OCCC1CN(N=C1NC(=O)c1cccnc1)c1ccc(Cl)c(Cl)c1 |c:6| Show InChI InChI=1S/C17H16Cl2N4O2/c18-14-4-3-13(8-15(14)19)23-10-12(5-7-24)16(22-23)21-17(25)11-2-1-6-20-9-11/h1-4,6,8-9,12,24H,5,7,10H2,(H,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530300 (CHEMBL4447662) Show SMILES C[C@H](NC(C)=O)C(=O)NC1=NN(CC1)c1ccc(Cl)c(Cl)c1 |r,t:9| Show InChI InChI=1S/C14H16Cl2N4O2/c1-8(17-9(2)21)14(22)18-13-5-6-20(19-13)10-3-4-11(15)12(16)7-10/h3-4,7-8H,5-6H2,1-2H3,(H,17,21)(H,18,19,22)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530284 (CHEMBL4590544) Show SMILES Clc1ccc(cc1Cl)-n1ccc(NC(=O)CC#N)n1 Show InChI InChI=1S/C12H8Cl2N4O/c13-9-2-1-8(7-10(9)14)18-6-4-11(17-18)16-12(19)3-5-15/h1-2,4,6-7H,3H2,(H,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530270 (CHEMBL4522850) Show SMILES C[C@@H]1CC(NC(C)=O)=NN1c1ccc(Cl)c(Cl)c1 |r,c:7| Show InChI InChI=1S/C12H13Cl2N3O/c1-7-5-12(15-8(2)18)16-17(7)9-3-4-10(13)11(14)6-9/h3-4,6-7H,5H2,1-2H3,(H,15,16,18)/t7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair

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